⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL782963 | 0.78 | — | — | |
| SCHEMBL1393689 | 0.67 | CA12 (0.32) | — | |
| SCHEMBL4009927 | 0.67 | — | — | |
| SCHEMBL419403 | 0.63 | — | — | |
| SCHEMBL1746231 | 0.63 | FDPS (0.32) | — | |
| SCHEMBL14272015 | 0.62 | — | — | |
| SCHEMBL22269215 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL3030498 | 0.60 | — | — | |
| SCHEMBL7770642 | 0.60 | CA1 (0.32) | — | |
| SCHEMBL2270665 | 0.60 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112409356-B | Polyamine modified aromatic imide derivative and preparation method and application thereof | 北京化工大学 | 2022-12-02 | — | — | CN | disclosed |